Compound Identification
SMILES
CCCSC1=NC(NC2CN(CC2O)C(O)=O)=C(N)C(Cl)=N1
InChIKey
InChIKey=MQSLFEQBKQOQPO-UHFFFAOYSA-N
Formula
C12H18ClN5O3S
Mass
347.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
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Subclass
Pyrrolidine carboxylic acids and derivatives
- Level 5 Pyrrolidine carboxylic acids
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Subclass
Pyrrolidine carboxylic acids and derivatives
-
Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolidine carboxylic acids
Alternative Parents
Halopyrimidines Aminopyrimidines and derivatives Alkylarylthioethers Imidolactams Aryl chlorides Heteroaromatic compounds Secondary alcohols Carbamic acids Sulfenyl compounds Azacyclic compounds Primary amines Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - Pyrrolidine carboxylic acid - Aminopyrimidine - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Pyrimidine - Imidolactam - Heteroaromatic compound - Carbamic acid - Carbamic acid derivative - Secondary alcohol - Azacycle - Thioether - Sulfenyl compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Alcohol - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available